Density, viscosity, excess property and intermolecular interaction visualisation studies of trans-1,2-diaminocyclohexane+water mixture

ABSTRACT

The determined density and viscosity data of trans-1,2-diaminocyclohexane (t-DCH) + water mixtures decrease with the increase in the temperature from 293.15 K to 333.15 K at atmospheric pressure, while all of the data show a maximum value along with the molar fraction of t-DCH increasing. In addition, excess molar volume (V^E), viscosity deviation ($\mathrm{\Delta }\mathit{\eta }$) and excess Gibbs free energy ($\mathrm{\Delta }$G*^E) were calculated and correlated using the Redlich-Kister equation. All of the V^E values are negative, while $\mathrm{\Delta }\mathit{\eta }$ and $\mathrm{\Delta }$G*^E are positive. The intermolecular interactions between t-DCH and water were characterised by quantum chemistry methods. The length of hydrogen bonds, binding energy, and the topological properties of electron density at bond critical points are calculated. The results show that the stability of the t-DHH trimer is stronger than that of the t-DH dimer. On the basis of theoretical calculation, the reason why the density and viscosity of t-DCH+water binary system increases first and then decreases is explained.

KEYWORDS:

• Density
• viscosity
• excess properties
• trans-1,2-diaminocyclohexane
• water
• intermolecular interactions

Acknowledgments

We sincerely express our thanks to the Doctoral Research Start-up Fund project (NO. NGBJ-2020-32) of Nanyang Institute of Technology and Nanyang City Collaborative Innovation Major Project (NO. 22XTCX12002).

Disclosure statement

No potential conflict of interest was reported by the author(s).

Supplementary material

Supplemental data for this article can be accessed online at https://doi.org/10.1080/00319104.2023.2301557

Additional information

Funding

This work was supported by the the Doctoral Research Start-up Fund project [NO. NGBJ-2020-32] of Nanyang Institute of Technology.